IF 3.9 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Vacuum

Pub Date : 2026-03-01 Epub Date: 2025-12-31 DOI: 10.1016/j.vacuum.2025.115061

Evgeniy Yakovlev, Mikhail Slobodyan, Andrey Solovyev, Evgeniy Pesterev, Vsevolod Petrov, Alexey Markov

In this study, composite coatings reinforced with boride particles were synthesized on titanium substrates. In this way, both LaB₆ and Ti thin films were deposited alternatively with subsequent low-energy high-current electron beam (LEHCEB) processing in a single vacuum cycle. The film thicknesses were selected so that the boron and titanium contents were close to the composition of the TiB₂ compound. Upon LEHCEB processing, the effect of energy densities on the microstructures, both chemical and phase compositions, as well as wear resistance of the coatings was considered. It was found that they could comprise mixtures of predominantly TiB₂ nanoparticles distributed in the submicrocrystalline titanium matrix at an energy density of 3.5 J/cm². In this case, wear resistance of the coating significantly exceeded those of the titanium substrate. Increasing the energy density up to 4.5 and 5.5 J/cm² promoted additional melting of the substrates and dilution of the molten films with titanium from them, reducing the proportions of boron in the coatings. These changes in their chemical compositions led to variations in the observed phases. In addition, the excessive heat input caused the formation of surface discontinuities, deteriorating wear resistance.

本研究在钛基上制备了硼化物颗粒增强复合涂层。通过这种方法，LaB6和Ti薄膜在一个真空循环中交替沉积，随后进行低能大电流电子束（LEHCEB）处理。薄膜厚度的选择使硼和钛的含量接近TiB2化合物的组成。在LEHCEB工艺中，考虑了能量密度对涂层组织、化学成分和物相组成以及耐磨性的影响。结果表明，它们主要由分布在亚微晶钛基体中的TiB2纳米颗粒组成，能量密度为3.5 J/cm2。在这种情况下，涂层的耐磨性明显超过钛基板。将能量密度提高到4.5和5.5 J/cm2，促进了基底的进一步熔化，并使熔融膜中钛的稀释，降低了涂层中硼的比例。这些化学成分的变化导致了所观察到的相的变化。此外，过多的热量输入造成了表面不连续的形成，耐磨性恶化。

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引用次数: 0

Enhanced adhesive wear resistance of TiB2 coating sliding against titanium alloy grinding balls by low-concentration Si doping 低浓度Si掺杂提高TiB2涂层与钛合金磨球滑动的黏着磨损性能

IF 3.9 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Vacuum

Pub Date : 2026-03-01 Epub Date: 2025-12-19 DOI: 10.1016/j.vacuum.2025.115032

Lijun Xian , Lin Li , Hongyuan Fan , Haibo Zhao , Zhongguang Yu , Jibo Zhang , Rong Pu , Yingzhi Luo , Ruoyu Wang , Guang Xian

Si-doped TiB₂ and undoped TiB₂ coatings were deposited by mid-frequency magnetron sputtering. The effects of Si doping concentration (1.8 at.% and 8.9 at.%) on the microstructure, mechanical properties and tribological performance of TiB₂ coating were investigated. The results showed that the undoped TiB₂ coating exhibited a hexagonal TiB₂ structure with (001) plane as the preferred orientation, a hardness of up to 51.2 ± 3 GPa. The TiB₂ coating with low-concentration (1.8 at.%) Si doping exhibited high hardness of 46.7 ± 1.98 GPa and high fracture toughness. However, when the Si concentration increased to 8.9 at.%, the hardness of the coating decreased due to the increase of amorphous phase, and the fracture toughness of the coating decreased due to the presence of free Si. SiO₂ tribofilms formed during the friction process reduced the interfacial adhesion between the 1.8 at.% Si-doped TiB₂ coating and the titanium alloy grinding ball. The low-concentration (1.8 at.%) Si-doped TiB₂ coating with the highest H/E (0.144) and H³/E² ratios (0.97) exhibited the best adhesive wear resistance at 600 °C.

采用中频磁控溅射法制备了掺硅TiB2和未掺硅TiB2涂层。Si掺杂浓度(1.8 at。%和8.9%。对TiB2涂层的显微组织、力学性能和摩擦学性能进行了研究。结果表明：未掺杂TiB2涂层呈现以（001）面为优选取向的六边形TiB2结构，硬度可达51.2±3 GPa；低浓度（1.8 at） TiB2涂层。%) Si掺杂具有较高的硬度（46.7±1.98 GPa）和较高的断裂韧性。然而，当Si浓度增加到8.9 at时。%时，由于非晶相的增加，涂层的硬度降低，而由于游离Si的存在，涂层的断裂韧性降低。摩擦过程中形成的SiO2摩擦膜降低了1.8 at之间的界面附着力。掺硅TiB2涂层及钛合金磨球。低浓度(1.8 at。掺si的TiB2涂层在600℃时具有最高的H/E（0.144）和H3/E2（0.97）的粘接耐磨性。

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引用次数: 0

Nondestructive determination of carbon in BeO ceramics by radioactivation with nanosecond proton and deuteron bunches collectively accelerated in a portable Luce diode 在便携式卢斯二极管中以纳秒质子和氘核束集体加速放射法无损测定BeO陶瓷中的碳

IF 3.9 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Vacuum

Pub Date : 2026-03-01 Epub Date: 2025-12-18 DOI: 10.1016/j.vacuum.2025.115017

V.A. Ryzhkov, P. Glumac, M.V. Zhuravlev, G.E. Remnev

Nanosecond proton and deuteron bunches collectively accelerated in a portable Luce diode were used for non-destructive radioactivation determination of carbon impurities in ceramic BeO plates using a pair of the ¹²C(p,γ)¹³N and ¹²C(d,n)¹³N nuclear reactions. The ¹³N activity induced in the irradiated samples was measured with a Ge detector at the peak of 511 keV annihilation γ-quanta after irradiation of each sample. The 457 keV resonance of the (p,γ) reaction is most sensitive at a depth of 2–5 μm with a detection limit of carbon up to 0.02 wt%, while the (d,n) reaction is most sensitive on the surface of samples, which together makes it possible to estimate the contribution of surface contamination with carbon to the result of carbon determination by the first reaction and to model the possible distribution of carbon in the near-surface layer of any solids. Our analysis showed that at an estimated depth of 0.1–10 μm, the BeO ceramics contained 0.31 wt% carbon.

在便携式卢斯二极管中，利用12C(p,γ)13N和12C(d,n)13N对核反应，利用纳秒质子和氘核束集体加速，对陶瓷BeO板中的碳杂质进行了无损放射性测定。辐照后，用Ge探测器在511 keV湮灭γ-量子峰处测量了辐照样品中13N的活性。（p,γ）反应的457 keV共振在深度为2-5 μm处最敏感，碳的检出限可达0.02 wt%，而（d,n）反应在样品表面最敏感，这使得通过第一次反应估计碳表面污染对碳测定结果的贡献以及模拟碳在任何固体近表层的可能分布成为可能。我们的分析表明，在0.1-10 μm的估计深度，BeO陶瓷含有0.31% wt%的碳。

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引用次数: 0

Preparation and electrochemical performance of different premagnesiated SiOx anodes 不同预镁化SiOx阳极的制备及其电化学性能

IF 3.9 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Vacuum

Pub Date : 2026-03-01 Epub Date: 2025-12-27 DOI: 10.1016/j.vacuum.2025.115055

Junli Li , Guoxiang Xin , Jinling Song , Bangwen Zhang , Xiaolan Li

Among the various anode materials under investigation, SiOx-based materials stand out due to their limited volumetric expansion, rendering them suitable candidates for lithium-ion battery anodes. Nevertheless, SiOx anodes still face several challenges, such as volumetric expansion, subpar capacity retention, and low initial coulombic efficiency. To tackle these problems, introducing heteroatoms into SiOx anodes has emerged as a promising approach. In this study, magnesium-doped SiOx anode materials were prepared using both one-step and two-step processes. Specifically, we evaluated the impact of these two methods on anode conductivity, lithium diffusion, durability, capacity, and initial coulombic efficiency. Research indicates that the electrochemical property disparities between the two methods stem mainly from differences in silicate distribution, silicon crystallinity, and interface characteristics. The initial delithiation capacity of C@M2-SiOx is 41.8 mAh.g⁻¹ higher than that of C@M1-SiOx. Furthermore, its electrode exhibits the highest Li⁺ diffusion coefficient, and the capacity retention rate after 100 cycles reaches 81.25 %. Additionally, we propose a design strategy for heteroatom insertion into SiOx anodes.

在各种正在研究的负极材料中，siox基材料因其有限的体积膨胀而脱颖而出，使其成为锂离子电池负极的合适人选。然而，SiOx阳极仍然面临着一些挑战，如体积膨胀、容量保持不足和初始库仑效率低。为了解决这些问题，在SiOx阳极中引入杂原子是一种很有前途的方法。本研究采用一步法和两步法制备了掺镁SiOx负极材料。具体来说，我们评估了这两种方法对阳极电导率、锂扩散、耐久性、容量和初始库仑效率的影响。研究表明，两种方法的电化学性能差异主要源于硅酸盐分布、硅结晶度和界面特征的差异。C@M2-SiOx的初始压缩容量为41.8 mAh。g−1比C@M1-SiOx高。此外，该电极具有最高的Li+扩散系数，100次循环后的容量保持率达到81.25%。此外，我们提出了一种杂原子插入SiOx阳极的设计策略。

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引用次数: 0

Molecular dynamics simulation of nanoindentation in Al-Pd-Mn quasicrystals Al-Pd-Mn准晶体纳米压痕的分子动力学模拟

IF 3.9 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Vacuum

Pub Date : 2026-03-01 Epub Date: 2025-12-18 DOI: 10.1016/j.vacuum.2025.115029

Yuan Tian , Junhong Guo , Qian Wang , Pingji He

By using the molecular dynamics method, the nanoindentation of Al-Pd-Mn quasicrystals (QCs) is investigated. The mechanical properties of Al-Pd-Mn QCs such as hardness and elastic modulus obtained in this work are in good agreement with our first-principles and the previous experimental results. The effects of indentation depth, temperature, indentation rate and indenter radius on the load-depth curve, deformation, crystal structure, atomic strain and mechanical properties are also analyzed during the nanoindentation process. The results indicate that the elastic recovery rate of ξ-Al₅₇Pd₁₆Mn₃ decreases nonlinearly and tends to stabilize with increasing indentation depth. The indentation surface morphology displays a fourfold symmetry about the indentation shape. Furthermore, the hardness always decreases with increasing indentation radius, while it always increases with increasing indentation rate, which exhibits the size effect and the rate strengthening effect. The present results could serve as an important guide for the investigation of mechanical characteristics of QCs with coupled thermodynamic and kinetic effects at the nanoscale.

采用分子动力学方法研究了Al-Pd-Mn准晶体的纳米压痕。所得的Al-Pd-Mn qc的硬度和弹性模量等力学性能与我们的第一性原理和前人的实验结果吻合较好。分析了压痕深度、温度、压痕速率和压痕半径对纳米压痕过程中载荷-深度曲线、变形、晶体结构、原子应变和力学性能的影响。结果表明：随着压痕深度的增加，ξ-Al57Pd16Mn3的弹性回复率呈非线性下降趋势，并趋于稳定；压痕表面形貌表现出关于压痕形状的四重对称性。硬度随压痕半径的增大而减小，随压痕速率的增大而增大，表现出尺寸效应和速率强化效应。本研究结果可为在纳米尺度上研究具有热力学和动力学耦合效应的高分子材料的力学特性提供重要的指导。

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引用次数: 0

Oxygen vacancies-rich CuO-In2O3/InOOH sensor for fast CO sensing 富氧空位的CuO-In2O3/InOOH传感器，用于快速CO传感

IF 3.9 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Vacuum

Pub Date : 2026-03-01 Epub Date: 2025-12-19 DOI: 10.1016/j.vacuum.2025.115040

Lin Liu , Jinbo Zhao , Zhidong Jin , Shiqiang Li , Fei Liu , Zhihong Lv , Jiurong Liu , Lili Wu

Carbon monoxide (CO) produced by thermal runaway of new energy vehicles, a trace amount of which are released at high temperatures can lead to an explosion. Therefore, there is a requirement to develop sensors that can respond quickly to low concentrations of CO in order to realize timely monitoring at the initial stage of gas release. In this work, the prepared CuO-loaded In₂O₃/InOOH exhibited the promising gas-sensitive properties with a short response/recovery time (3/6 s) to 250 ppm CO at 300 °C. Moreover, the sensor provided a low detection limit (800 ppb) and excellent selectivity. The promoted sensing performances are attributed to the formation of p-n junction. In addition, CuO loading promotes the partial transformation of the In₂O₃ phase towards the InOOH phase, facilitating the formation of oxygen vacancies. The fast response/recovery and low concentration gas-sensitive characteristics indicate that it has good application prospects for early warning of thermal runaway in batteries.

新能源汽车热失控产生的一氧化碳（CO），在高温下释放的微量一氧化碳可导致爆炸。因此，为了实现气体释放初期的及时监测，需要开发能够对低浓度CO快速响应的传感器。在这项工作中，制备的负载cuo的In2O3/InOOH具有良好的气敏性能，在300℃下对250 ppm CO具有较短的响应/恢复时间（3/6 s）。此外，该传感器提供了低检测限（800 ppb）和优秀的选择性。传感性能的提高主要归功于p-n结的形成。此外，CuO的加载促进了In2O3相向InOOH相的部分转变，促进了氧空位的形成。快速响应/恢复和低浓度气敏特性表明该方法在电池热失控预警中具有良好的应用前景。

引用次数: 0

Theoretical investigation on thermoelectric properties of layered LiCuS: Mechanism of antibonding-state-induced anharmonicity and the role of four-phonon scattering 层状LiCuS热电特性的理论研究：反键态诱导的非谐波机理和四声子散射的作用

IF 3.9 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Vacuum

Pub Date : 2026-03-01 Epub Date: 2026-01-09 DOI: 10.1016/j.vacuum.2026.115082

Jin Tao , Mingyao Xiong , Dan Huang

Based on first-principles calculations and Boltzmann transport theory, this study systematically investigates the thermoelectric performance of the layered compound LiCuS. By analyzing atomic displacement parameters, crystal orbital Hamilton populations, and potential energy distributions, the underlying mechanisms governing its lattice thermal conductivity are elucidated. The calculation results indicate that the lattice thermal conductivity (κ_L) of LiCuS exhibits a significant reduction when four-phonon (4ph) scattering is included, compared to the case considering only three-phonon (3ph) scattering. At 300 K, the κ_L along the a(b) and c axis are determined to be 1.603 and 0.654 W m⁻¹ K⁻¹, respectively. At 900 K, the optimal ZT values for p-type and n-doped LiCuS reach 1.18 and 0.53. The results demonstrate that the layered LiCuS compound, benefiting from its unique crystal structure and phonon transport characteristics, is a highly promising thermoelectric material for medium to high temperature applications.

基于第一性原理计算和玻尔兹曼输运理论，系统地研究了层状复合LiCuS的热电性能。通过分析原子位移参数、晶体轨道汉密尔顿居群和势能分布，阐明了控制其晶格热导率的潜在机制。计算结果表明，与仅考虑三声子（3ph）散射相比，考虑四声子（4ph）散射时，LiCuS的晶格导热系数（κL）显著降低。在300 K时，沿a(b)和c轴的κL分别为1.603和0.654 W m−1 K−1。在900 K时，p型和n掺杂LiCuS的最佳ZT值分别为1.18和0.53。结果表明，层状LiCuS化合物由于其独特的晶体结构和声子输运特性，是一种非常有前途的中高温热电材料。

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引用次数: 0

Coating technology and performance evaluation of batch-produced NEG films for the HALF storage ring vacuum chambers 半储存环真空室批量生产NEG膜的涂膜工艺及性能评价

IF 3.9 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Vacuum

Pub Date : 2026-03-01 Epub Date: 2026-01-07 DOI: 10.1016/j.vacuum.2026.115073

Xiaopeng Xu , Xinyu Jin , Tao Guo , Xuesong Zhou , Chuntai Gao , Wenjing Ma , Jinghua Wang , Le Fan , Sihui Wang

Non-evaporable getter (NEG) films are essential for achieving and maintaining ultra-high vacuum in fourth-generation light sources, such as the Hefei Advanced Light Facility (HALF), where their performance directly impacts beam quality and stability. With the ongoing construction of the HALF, depositing high-quality NEG films has become a decisive factor for the overall vacuum performance. In this study, Ti-Zr-V NEG films were deposited onto the inner walls of pipelines with various configurations employing direct current pulsed magnetron sputtering technology. The deposition system and challenges encountered during the process are described in detail. The vacuum performance and pumping capacity of the films were tested, while the microstructure and thickness were characterized by scanning electron microscopy. The results demonstrate that the deposition system operated stably and reliably, with no instances of incomplete film deposition or process interruptions. Repeated SEM analyses of the samples confirmed the consistency and uniformity of the film's morphology and composition. All coated pipelines achieved an ultimate vacuum below 2 × 10⁻⁸ Pa following sputter ion pump isolation, with the initial sticking probability for CO above 0.05 and adsorption capacities exceeding 1 × 10⁻⁵ mbar L/cm². These results provide a solid technical foundation for the forthcoming large-scale deposition of NEG films in HALF vacuum systems.

非蒸发吸气剂（NEG）薄膜对于实现和维持第四代光源（如合肥先进光设施（HALF））的超高真空至关重要，其性能直接影响光束质量和稳定性。随着HALF的持续建设，沉积高质量的NEG薄膜已成为整体真空性能的决定性因素。在本研究中，采用直流脉冲磁控溅射技术将Ti-Zr-V NEG薄膜沉积在不同结构的管道内壁上。详细描述了沉积系统和过程中遇到的挑战。测试了膜的真空性能和抽气能力，并通过扫描电镜对膜的微观结构和厚度进行了表征。结果表明，该沉积系统运行稳定可靠，没有出现沉积不完全或过程中断的情况。样品的重复扫描电镜分析证实了膜的形态和组成的一致性和均匀性。溅射离子泵隔离后，所有涂层管道的极限真空均低于2 × 10−8 Pa， CO的初始粘附概率大于0.05，吸附容量超过1 × 10−5 mbar L/cm2。这些结果为在半真空系统中大规模沉积NEG薄膜提供了坚实的技术基础。

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引用次数: 0

Atomic-scale characterization of flux pinning defects in YBCO films YBCO薄膜熔剂钉钉缺陷的原子尺度表征

IF 3.9 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Vacuum

Pub Date : 2026-03-01 Epub Date: 2026-01-05 DOI: 10.1016/j.vacuum.2026.115070

Song Hu , Tingting Yao , Xinwei Wang , Yidan Fan , Xianfeng Wu , Beibei Qiao , Xuexi Yan , Yixiao Jiang , Kepeng Song , Chunlin Chen

YBa₂Cu₃O_7-δ (YBCO) thin films have attracted considerable attention due to their remarkable superconducting properties, which include a high superconducting critical temperature (Tc) and elevated critical current density. The introduction of defects in YBCO has been shown to effectively pin flux vortices, thereby enhancing the critical current density under magnetic field conditions. In this study, the microstructure of YBCO thin films was examined through transmission electron microscopy (TEM). Atomic-resolution TEM imaging and energy-dispersive spectroscopy (EDS) elemental mapping were employed to elucidate the atomic structure, elemental distribution, and strain fields associated with defects in YBCO, including dislocations, stacking faults, and anti-phase boundaries. These defects may disrupt the formation of Cooper pairs and lead to a reduction in local T_c by altering the local coordination environment of the CuO₂ planes. This research provides new insights into defect engineering within YBCO thin films and establishes a foundation for enhancing the performance of superconducting materials.

YBa2Cu3O7-δ (YBCO)薄膜由于具有较高的超导临界温度（Tc）和较高的临界电流密度而引起了人们的广泛关注。在YBCO中引入缺陷可以有效地引脚磁通涡流，从而提高磁场条件下的临界电流密度。本研究采用透射电子显微镜（TEM）对YBCO薄膜的微观结构进行了研究。利用原子分辨率TEM成像和能谱（EDS）元素映射分析了YBCO的原子结构、元素分布和与缺陷相关的应变场，包括位错、层错和反相边界。这些缺陷可能通过改变CuO2平面的局部配位环境，破坏Cooper对的形成，导致局部Tc的降低。该研究为YBCO薄膜的缺陷工程提供了新的见解，并为提高超导材料的性能奠定了基础。

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引用次数: 0

Synthesis of Fe3O4/AC/SiO2 magnetic nanocomposite and application as a high performance, non-toxic, and cost-efficient nanocatalyst for removal of methylene blue dye from water Fe3O4/AC/SiO2磁性纳米复合材料的合成及其在水中去除亚甲基蓝染料中的应用

IF 3.9 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Vacuum

Pub Date : 2026-03-01 Epub Date: 2025-12-30 DOI: 10.1016/j.vacuum.2025.115057

Elham Molahosseini , Hakimeh Zare , Mehdi Molaei , Farzad Farahmandzadeh

In this study, non-toxic, recyclable, and cost-efficient Fe₃O₄/activated carbon (AC)/SiO₂ nanocomposites were synthesized by a rapid and simple method based on an ultrasonic probe. The prepared nanocomposites were characterized by Raman spectroscopy, BET, FT-IR, FESEM, TEM, zeta potential, and XRD analyses. The successful formation of the Fe₃O₄/AC/SiO₂ nanocomposite structure was confirmed by FT-IR and XRD results. FESEM and TEM images showed that spherical Fe₃O₄ and SiO₂ nanoparticles were synthesized on the microporous AC substrate. Zeta potential analysis revealed a significant negative surface charge of −50.9 mV, while BET analysis showed a high specific surface area of 359.4 m²/g. Moreover, VSM results indicated a saturation magnetization of 28.8 emu/g, confirming the magnetic recyclability of the prepared nanocatalyst. Radical scavenger results demonstrated that surface electrons played a key role in the degradation process of methylene blue dye. The dark catalytic activity of the Fe₃O₄/AC/SiO₂ nanocatalyst resulted in the complete degradation of 10 ppm methylene blue within 1 min. Based on these results, the Fe₃O₄/AC/SiO₂ nanocomposite can be considered a high-performance, non-toxic, recyclable, and cost-efficient nanocatalyst for the rapid degradation of methylene blue in water and wastewater.

本研究基于超声探针，采用快速、简便的方法合成了无毒、可回收、经济高效的Fe3O4/活性炭(AC)/SiO2纳米复合材料。采用拉曼光谱、BET、FT-IR、FESEM、TEM、zeta电位和XRD分析对所制备的纳米复合材料进行了表征。FT-IR和XRD结果证实了Fe3O4/AC/SiO2纳米复合结构的成功形成。FESEM和TEM图像显示，在微孔AC衬底上合成了球形Fe3O4和SiO2纳米颗粒。Zeta电位分析显示其表面电荷为- 50.9 mV， BET分析显示其比表面积高达359.4 m2/g。此外，VSM结果表明饱和磁化强度为28.8 emu/g，证实了制备的纳米催化剂具有磁性可回收性。自由基清除剂的研究结果表明，表面电子在亚甲基蓝染料的降解过程中起着关键作用。Fe3O4/AC/SiO2纳米催化剂的暗催化活性使其在1 min内完全降解10 ppm的亚甲基蓝。基于这些结果，Fe3O4/AC/SiO2纳米复合材料可以被认为是一种高性能、无毒、可回收、经济高效的纳米催化剂，用于快速降解水和废水中的亚甲基蓝。

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引用次数: 0

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